#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k78 s ALA 26 N 0.00 -0.47 -1.65 -1.46 0.00 -1.26 -4.90 121.76 112.02 2k78 s ALA 26 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.62 2k78 s ALA 26 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.94 2k78 s ALA 26 CO 0.00 -2.12 0.00 -1.71 0.00 0.00 0.00 175.76 171.93 2k78 n ASN 27 N 2.98 -5.40 -3.30 0.00 2.85 -1.26 -4.96 115.26 106.18 2k78 n ASN 27 Ca 0.23 0.04 -0.26 0.00 -0.11 0.00 0.00 54.58 54.48 2k78 n ASN 27 Cb 0.52 -4.46 0.25 0.00 1.24 0.00 0.00 39.78 37.33 2k78 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k78 n ALA 28 N -1.52 -4.53 0.03 5.20 0.00 -1.26 -4.98 120.51 113.46 2k78 n ALA 28 Ca -0.22 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 51.90 2k78 n ALA 28 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2k78 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k78 n ALA 29 N -5.45 0.00 -2.17 0.00 0.00 -1.26 -5.01 120.51 106.62 2k78 n ALA 29 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 2k78 n ALA 29 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 2k78 n ALA 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k78 n ASP 30 N -2.40 -4.47 -3.49 0.00 8.00 -1.26 -4.91 116.55 108.03 2k78 n ASP 30 Ca 0.00 0.19 -0.16 0.00 0.71 0.00 0.00 54.79 55.53 2k78 n ASP 30 Cb 0.00 -3.84 -0.05 0.00 -0.02 0.00 0.00 41.12 37.22 2k78 n ASP 30 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2k78 s SER 31 N -2.10 -0.61 0.00 -2.24 1.04 -1.26 -0.41 113.70 108.11 2k78 s SER 31 Ca 0.00 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2k78 s SER 31 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2k78 s SER 31 CO 0.00 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2k78 n GLY 32 N 0.42 -0.92 3.53 7.32 0.00 -0.83 -4.98 105.19 109.73 2k78 n GLY 32 Ca -0.18 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 2k78 n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k78 s THR 33 N -2.00 4.66 0.20 2.61 -4.23 -1.26 -0.93 115.64 114.68 2k78 s THR 33 Ca 0.00 0.32 -0.05 0.00 -1.18 0.00 0.00 61.69 60.78 2k78 s THR 33 Cb 0.00 -4.32 -0.06 0.00 1.34 0.00 0.00 72.50 69.46 2k78 s THR 33 CO 0.00 -0.74 0.44 -0.22 -0.54 0.00 0.00 174.62 173.56 2k78 s LEU 34 N 3.25 4.20 0.16 4.79 1.98 -0.22 -4.90 118.68 127.94 2k78 s LEU 34 Ca 0.28 0.63 -0.30 0.00 -2.89 0.00 0.00 54.13 51.85 2k78 s LEU 34 Cb -0.13 -3.39 -0.07 0.00 0.66 0.00 0.00 46.19 43.26 2k78 s LEU 34 CO 0.21 -0.03 0.97 0.20 -1.89 0.00 0.00 176.35 175.81 2k78 s ASN 35 N -2.69 7.52 0.03 3.68 0.01 -1.09 -2.70 114.94 119.70 2k78 s ASN 35 Ca 0.42 1.89 -0.27 0.00 -0.71 0.00 0.00 52.86 54.18 2k78 s ASN 35 Cb -0.11 -2.60 0.09 0.00 0.41 0.00 0.00 41.25 39.04 2k78 s ASN 35 CO 0.26 -0.01 0.80 -0.72 -1.51 0.00 0.00 177.10 175.92 2k78 s TYR 36 N -0.43 -0.41 0.38 2.20 1.13 -1.26 0.17 117.35 119.12 2k78 s TYR 36 Ca 0.45 0.30 -0.10 0.00 -1.41 0.00 0.00 57.07 56.32 2k78 s TYR 36 Cb -0.25 0.53 0.04 0.00 -1.10 0.00 0.00 41.96 41.18 2k78 s TYR 36 CO 0.31 -0.62 0.67 0.39 -2.51 0.00 0.00 175.55 173.79 2k78 n GLU 37 N -0.19 0.96 -3.66 -3.49 1.02 0.20 -4.83 120.64 110.66 2k78 n GLU 37 Ca -0.12 -2.48 -0.22 0.00 -0.02 0.00 0.00 57.16 54.33 2k78 n GLU 37 Cb 0.62 2.76 -0.18 0.00 -0.02 0.00 0.00 31.44 34.63 2k78 n GLU 37 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2k78 s VAL 38 N -2.40 -0.08 0.44 2.62 -7.23 -1.26 -0.40 120.40 112.10 2k78 s VAL 38 Ca 0.21 0.26 -0.02 0.00 -1.81 0.00 0.00 61.98 60.62 2k78 s VAL 38 Cb -0.03 -0.28 -0.02 0.00 0.56 0.00 0.00 36.38 36.60 2k78 s VAL 38 CO 0.16 0.07 0.70 -0.31 -0.31 0.00 0.00 175.10 175.41 2k78 s TYR 39 N 2.15 3.44 0.23 2.82 2.02 -0.92 -4.29 117.35 122.80 2k78 s TYR 39 Ca 0.04 0.53 -0.30 0.00 -0.37 0.00 0.00 57.07 56.97 2k78 s TYR 39 Cb -0.13 -2.22 -0.09 0.00 -0.40 0.00 0.00 41.96 39.11 2k78 s TYR 39 CO -0.05 -0.23 1.34 0.21 -1.57 0.00 0.00 175.55 175.26 2k78 s LYS 40 N -4.60 4.35 0.49 -0.62 2.47 -1.22 -2.41 119.74 118.22 2k78 s LYS 40 Ca 0.46 2.15 -0.23 0.00 -1.56 0.00 0.00 55.97 56.78 2k78 s LYS 40 Cb -0.10 -3.15 -0.07 0.00 -1.46 0.00 0.00 37.83 33.05 2k78 s LYS 40 CO 0.41 -0.29 1.37 -0.47 0.16 0.00 0.00 175.35 176.53 2k78 s TYR 41 N -0.11 2.42 0.00 4.03 5.04 -1.26 -1.57 117.35 125.90 2k78 s TYR 41 Ca 0.56 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 56.54 2k78 s TYR 41 Cb -0.38 -3.81 0.00 0.00 0.35 0.00 0.00 41.96 38.11 2k78 s TYR 41 CO 0.42 -2.78 0.00 -1.71 -1.34 0.00 0.00 175.55 170.14 2k78 n ASN 42 N -0.60 -1.41 -1.02 4.32 4.05 -1.26 -4.93 115.26 114.41 2k78 n ASN 42 Ca 0.08 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.11 2k78 n ASN 42 Cb 0.44 -1.40 0.00 0.00 1.23 0.00 0.00 39.78 40.05 2k78 n ASN 42 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 2k78 n THR 43 N -2.17 0.00 -2.05 -0.44 -2.24 -0.61 -5.08 114.28 101.70 2k78 n THR 43 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2k78 n THR 43 Cb 0.07 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.35 2k78 n THR 43 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2k78 n ASN 44 N -2.82 0.77 -3.76 3.42 4.13 -1.26 -4.61 115.26 111.13 2k78 n ASN 44 Ca 0.00 -2.29 -0.22 0.00 1.68 0.00 0.00 54.58 53.75 2k78 n ASN 44 Cb 0.00 -0.29 -0.18 0.00 -1.54 0.00 0.00 39.78 37.77 2k78 n ASN 44 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2k78 s ASP 45 N -1.77 1.47 -0.18 6.41 -1.08 -1.26 -4.90 116.67 115.35 2k78 s ASP 45 Ca 0.19 -0.06 -0.38 0.00 -0.52 0.00 0.00 52.55 51.78 2k78 s ASP 45 Cb 0.21 -0.39 -0.15 0.00 -1.46 0.00 0.00 42.92 41.12 2k78 s ASP 45 CO -0.07 -0.19 1.72 0.35 0.52 0.00 0.00 175.17 177.50 2k78 n THR 46 N 5.10 0.32 0.00 1.71 -2.24 -1.26 -3.38 114.28 114.52 2k78 n THR 46 Ca -0.08 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2k78 n THR 46 Cb 0.50 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 2k78 n THR 46 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k78 n SER 47 N 5.23 2.27 0.00 3.42 7.64 -1.26 -4.88 113.62 126.03 2k78 n SER 47 Ca 0.24 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2k78 n SER 47 Cb 0.17 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 2k78 n SER 47 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2k78 n ILE 48 N -0.74 0.00 -0.19 0.44 5.41 -1.26 -4.87 119.36 118.15 2k78 n ILE 48 Ca 0.00 0.00 0.30 0.00 1.00 0.00 0.00 62.75 64.05 2k78 n ILE 48 Cb 0.00 -0.03 0.63 0.00 -0.71 0.00 0.00 39.64 39.53 2k78 n ILE 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k78 h ALA 49 N 0.00 2.84 0.00 -1.39 0.00 -1.95 0.58 119.26 119.34 2k78 h ALA 49 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k78 h ALA 49 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k78 h ALA 49 CO 0.00 -1.45 0.00 -2.95 0.00 0.00 0.00 179.25 174.85 2k78 h ASN 50 N 0.00 0.00 -0.57 0.00 -1.07 -1.90 -1.67 115.58 110.37 2k78 h ASN 50 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.83 2k78 h ASN 50 Cb 2.36 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.61 2k78 h ASN 50 CO -0.00 0.00 0.00 0.47 0.07 0.00 0.00 177.43 177.97 2k78 n ASP 51 N -2.50 4.61 -0.06 6.14 8.00 0.20 -4.31 116.55 128.64 2k78 n ASP 51 Ca -0.01 -2.52 0.01 0.00 0.71 0.00 0.00 54.79 52.98 2k78 n ASP 51 Cb 0.13 -0.56 0.01 0.00 -0.02 0.00 0.00 41.12 40.69 2k78 n ASP 51 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2k78 n TYR 52 N 0.84 0.00 -3.85 1.24 4.01 -0.63 -5.01 117.16 113.76 2k78 n TYR 52 Ca 0.24 -0.29 -0.27 0.00 -0.16 0.00 0.00 57.90 57.43 2k78 n TYR 52 Cb 0.88 -0.04 -0.17 0.00 -0.31 0.00 0.00 39.34 39.71 2k78 n TYR 52 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2k78 s PHE 53 N -0.67 1.33 -0.42 -0.72 0.08 -1.23 -3.03 117.98 113.31 2k78 s PHE 53 Ca 0.03 -0.76 -0.28 0.00 0.12 0.00 0.00 56.93 56.04 2k78 s PHE 53 Cb 0.03 -1.15 -0.00 0.00 -0.57 0.00 0.00 43.02 41.33 2k78 s PHE 53 CO 0.00 -0.53 1.58 1.21 -0.10 0.00 0.00 175.22 177.39 2k78 s ASN 54 N 1.76 6.07 0.35 1.36 3.84 -1.25 -4.99 114.94 122.07 2k78 s ASN 54 Ca 0.03 0.87 -0.00 0.00 0.21 0.00 0.00 52.86 53.97 2k78 s ASN 54 Cb -0.14 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 37.99 2k78 s ASN 54 CO -0.07 -1.64 0.56 -1.59 -2.79 0.00 0.00 177.10 171.57 2k78 s LYS 55 N 5.43 3.50 0.60 0.43 -2.85 -1.26 -4.44 119.74 121.14 2k78 s LYS 55 Ca 0.67 -0.29 -0.10 0.00 -1.00 0.00 0.00 55.97 55.25 2k78 s LYS 55 Cb -0.16 -2.65 0.14 0.00 -2.06 0.00 0.00 37.83 33.10 2k78 s LYS 55 CO 0.31 0.13 0.77 -0.35 0.10 0.00 0.00 175.35 176.31 2k78 n PRO 56 N -1.76 -0.95 -3.19 1.78 -0.04 -1.26 -5.15 135.00 124.43 2k78 n PRO 56 Ca -0.04 -1.19 -0.19 0.00 -0.04 0.00 0.00 63.50 62.04 2k78 n PRO 56 Cb 0.56 -0.83 0.01 0.00 -0.04 0.00 0.00 33.50 33.20 2k78 n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k78 s ALA 57 N -3.86 4.44 -0.34 0.55 0.00 -1.10 -4.92 121.76 116.52 2k78 s ALA 57 Ca 0.44 -1.78 -0.10 0.00 0.00 0.00 0.00 51.96 50.53 2k78 s ALA 57 Cb -0.02 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.71 2k78 s ALA 57 CO 0.31 -0.36 0.16 0.15 0.00 0.00 0.00 175.76 176.03 2k78 s LYS 58 N -4.34 2.96 0.43 0.00 1.02 -1.16 -1.06 119.74 117.60 2k78 s LYS 58 Ca 0.53 -0.97 0.04 0.00 0.02 0.00 0.00 55.97 55.59 2k78 s LYS 58 Cb -0.07 -3.61 0.01 0.00 -0.52 0.00 0.00 37.83 33.63 2k78 s LYS 58 CO 0.32 -0.59 0.60 1.52 -0.92 0.00 0.00 175.35 176.29 2k78 s TYR 59 N 1.54 3.02 -0.25 3.18 1.13 -0.11 -0.37 117.35 125.49 2k78 s TYR 59 Ca 0.02 -0.11 -0.09 0.00 -1.41 0.00 0.00 57.07 55.49 2k78 s TYR 59 Cb -0.18 -2.32 0.11 0.00 -1.10 0.00 0.00 41.96 38.47 2k78 s TYR 59 CO 0.06 -0.37 0.55 -1.50 -2.51 0.00 0.00 175.55 171.77 2k78 s ILE 60 N -2.43 -0.76 -0.04 -3.49 2.07 -0.25 -1.96 121.20 114.35 2k78 s ILE 60 Ca 0.51 0.07 -0.00 0.00 -1.41 0.00 0.00 60.65 59.82 2k78 s ILE 60 Cb -0.10 -0.85 0.03 0.00 0.13 0.00 0.00 42.46 41.67 2k78 s ILE 60 CO 0.35 0.03 0.01 -0.54 -1.91 0.00 0.00 174.94 172.88 2k78 s LYS 61 N 2.65 0.29 -0.85 3.50 1.02 0.45 0.13 119.74 126.94 2k78 s LYS 61 Ca -0.05 0.12 0.01 0.00 0.02 0.00 0.00 55.97 56.07 2k78 s LYS 61 Cb -0.11 -0.55 0.32 0.00 -0.52 0.00 0.00 37.83 36.97 2k78 s LYS 61 CO -0.16 -0.18 1.39 1.63 -0.92 0.00 0.00 175.35 177.10 2k78 n LYS 62 N 4.41 4.31 -2.56 1.68 5.02 -0.56 -4.29 118.16 126.17 2k78 n LYS 62 Ca -0.21 -4.72 -0.02 0.00 -2.02 0.00 0.00 58.31 51.33 2k78 n LYS 62 Cb 0.50 -2.38 -0.02 0.00 -0.02 0.00 0.00 35.03 33.11 2k78 n LYS 62 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2k78 n ASN 63 N 0.15 -4.20 0.00 4.39 3.02 -1.26 -4.26 115.26 113.10 2k78 n ASN 63 Ca 0.37 1.35 0.00 0.00 -0.03 0.00 0.00 54.58 56.28 2k78 n ASN 63 Cb 0.33 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.57 2k78 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k78 n GLY 64 N 1.98 3.39 3.07 7.41 0.00 -1.26 -5.02 105.19 114.76 2k78 n GLY 64 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2k78 n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k78 s LYS 65 N -0.79 0.55 -0.17 1.61 -2.85 -1.26 -5.16 119.74 111.66 2k78 s LYS 65 Ca 0.00 -0.96 -0.23 0.00 -1.00 0.00 0.00 55.97 53.78 2k78 s LYS 65 Cb 0.00 -0.00 0.06 0.00 -2.06 0.00 0.00 37.83 35.83 2k78 s LYS 65 CO 0.00 -0.04 0.60 -0.48 0.10 0.00 0.00 175.35 175.53 2k78 s LEU 66 N -2.23 -0.31 0.00 2.77 -0.00 -1.26 -1.50 118.68 116.16 2k78 s LEU 66 Ca -0.02 1.03 0.02 0.00 -0.00 0.00 0.00 54.13 55.15 2k78 s LEU 66 Cb -0.02 2.12 -0.01 0.00 -0.00 0.00 0.00 46.19 48.29 2k78 s LEU 66 CO -0.04 -0.32 0.08 -1.22 -0.00 0.00 0.00 176.35 174.85 2k78 n TYR 67 N 2.23 -0.21 -3.64 3.48 4.02 0.36 -3.96 117.16 119.43 2k78 n TYR 67 Ca -0.16 -0.82 -0.05 0.00 -0.01 0.00 0.00 57.90 56.86 2k78 n TYR 67 Cb 0.56 0.08 -0.07 0.00 -0.02 0.00 0.00 39.34 39.89 2k78 n TYR 67 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2k78 s VAL 68 N -2.37 0.00 -0.13 -0.72 1.01 -1.00 -1.09 120.40 116.11 2k78 s VAL 68 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 2k78 s VAL 68 Cb 0.01 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 2k78 s VAL 68 CO 0.08 0.00 0.19 0.00 0.00 0.00 0.00 175.10 175.37 2k78 s GLN 69 N 1.52 3.79 -0.11 2.72 -2.07 0.51 -0.80 119.66 125.23 2k78 s GLN 69 Ca -0.10 -0.05 0.01 0.00 -1.82 0.00 0.00 55.36 53.41 2k78 s GLN 69 Cb -0.04 -3.28 -0.02 0.00 -1.09 0.00 0.00 33.01 28.58 2k78 s GLN 69 CO -0.18 0.58 -0.15 -1.50 -1.32 0.00 0.00 175.29 172.72 2k78 s ILE 70 N -0.50 2.94 -0.25 3.63 1.10 -0.27 -2.97 121.20 124.88 2k78 s ILE 70 Ca 0.15 -0.72 -0.20 0.00 -0.51 0.00 0.00 60.65 59.37 2k78 s ILE 70 Cb -0.13 -2.20 -0.02 0.00 0.15 0.00 0.00 42.46 40.26 2k78 s ILE 70 CO 0.04 0.54 0.61 -0.89 -2.11 0.00 0.00 174.94 173.13 2k78 s THR 71 N 0.07 5.01 -0.13 4.00 2.01 -1.26 -2.32 115.64 123.01 2k78 s THR 71 Ca -0.06 1.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.98 2k78 s THR 71 Cb -0.15 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 2k78 s THR 71 CO 0.05 0.05 0.07 0.68 -0.69 0.00 0.00 174.62 174.78 2k78 s VAL 72 N 2.39 4.92 0.01 3.82 -7.23 0.99 -3.89 120.40 121.41 2k78 s VAL 72 Ca 0.25 -0.01 -0.02 0.00 -1.81 0.00 0.00 61.98 60.40 2k78 s VAL 72 Cb -0.16 -3.14 -0.04 0.00 0.56 0.00 0.00 36.38 33.60 2k78 s VAL 72 CO 0.09 0.57 0.19 0.20 -0.31 0.00 0.00 175.10 175.84 2k78 s ASN 73 N -0.55 6.37 -0.26 4.85 0.01 -1.17 -2.51 114.94 121.68 2k78 s ASN 73 Ca 0.11 0.33 -0.02 0.00 -0.71 0.00 0.00 52.86 52.57 2k78 s ASN 73 Cb -0.12 -1.99 0.01 0.00 0.41 0.00 0.00 41.25 39.56 2k78 s ASN 73 CO 0.02 0.24 0.05 1.41 -1.51 0.00 0.00 177.10 177.31 2k78 n HIS 74 N 0.77 -3.76 -0.38 2.20 8.25 -0.94 -4.45 115.22 116.92 2k78 n HIS 74 Ca -0.09 1.79 -0.02 0.00 -0.26 0.00 0.00 57.72 59.14 2k78 n HIS 74 Cb 0.52 -3.74 0.11 0.00 1.12 0.00 0.00 29.99 28.01 2k78 n HIS 74 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2k78 h SER 75 N 3.35 1.14 0.15 0.41 0.02 -1.84 -1.25 113.55 115.54 2k78 h SER 75 Ca -0.11 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 2k78 h SER 75 Cb 0.33 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2k78 h SER 75 CO 0.07 0.82 -0.10 0.45 -1.14 0.00 0.00 176.83 176.93 2k78 h HIS 76 N 1.34 0.00 0.00 3.45 3.86 -1.88 -3.27 115.15 118.64 2k78 h HIS 76 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 2k78 h HIS 76 Cb -0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.34 2k78 h HIS 76 CO -0.00 0.10 0.00 0.91 0.86 0.00 0.00 177.93 179.80 2k78 n TRP 77 N -4.09 0.00 -3.00 2.45 7.02 -0.49 -3.91 117.44 115.42 2k78 n TRP 77 Ca -0.03 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.04 2k78 n TRP 77 Cb 0.18 -0.33 -0.05 0.00 -2.42 0.00 0.00 31.31 28.68 2k78 n TRP 77 CO 0.00 0.00 0.00 -1.50 -2.02 0.00 0.00 177.69 174.17 2k78 s ILE 78 N -1.31 4.83 -0.26 -0.99 2.07 -1.12 -3.06 121.20 121.35 2k78 s ILE 78 Ca 0.00 0.99 0.21 0.00 -1.41 0.00 0.00 60.65 60.44 2k78 s ILE 78 Cb 0.00 -4.12 0.07 0.00 0.13 0.00 0.00 42.46 38.54 2k78 s ILE 78 CO 0.00 -0.26 1.19 0.00 -1.91 0.00 0.00 174.94 173.96 2k78 h THR 79 N 5.62 0.16 -1.65 4.00 1.03 -1.33 -3.43 112.91 117.31 2k78 h THR 79 Ca -0.25 -1.27 0.28 0.00 -0.01 0.00 0.00 66.41 65.16 2k78 h THR 79 Cb 1.10 1.80 -0.12 0.00 -1.07 0.00 0.00 68.15 69.86 2k78 h THR 79 CO 0.86 0.09 0.75 -0.83 -0.01 0.00 0.00 175.52 176.39 2k78 s GLY 80 N -4.40 -0.37 -0.27 2.99 0.00 -1.13 -4.91 107.32 99.23 2k78 s GLY 80 Ca 0.01 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.41 2k78 s GLY 80 CO 0.76 0.14 0.43 1.06 0.00 0.00 0.00 173.10 175.49 2k78 s MET 81 N -2.62 0.41 0.44 2.90 -1.94 -1.26 -2.12 119.30 115.12 2k78 s MET 81 Ca 0.13 0.42 -0.08 0.00 -1.71 0.00 0.00 55.69 54.45 2k78 s MET 81 Cb 0.03 -0.24 -0.05 0.00 2.01 0.00 0.00 34.83 36.57 2k78 s MET 81 CO -0.03 -0.83 0.78 0.45 -0.01 0.00 0.00 175.02 175.38 2k78 s SER 82 N 2.60 6.40 -0.00 3.03 0.15 0.48 -3.59 113.70 122.77 2k78 s SER 82 Ca 0.12 1.04 -0.21 0.00 0.70 0.00 0.00 55.95 57.61 2k78 s SER 82 Cb -0.14 -2.29 0.04 0.00 -1.71 0.00 0.00 66.02 61.92 2k78 s SER 82 CO -0.23 -0.48 0.45 -0.63 1.20 0.00 0.00 173.24 173.55 2k78 s ILE 83 N -2.55 0.04 -1.52 6.45 1.01 0.65 -0.04 121.20 125.24 2k78 s ILE 83 Ca 0.49 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2k78 s ILE 83 Cb -0.10 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.53 2k78 s ILE 83 CO 0.38 -0.18 0.00 -0.62 0.00 0.00 0.00 174.94 174.52 2k78 n GLU 84 N 0.88 -1.54 -0.74 2.79 -0.58 -1.17 -0.59 120.64 119.70 2k78 n GLU 84 Ca -0.20 0.95 0.00 0.00 -0.42 0.00 0.00 57.16 57.49 2k78 n GLU 84 Cb 0.58 -5.28 0.00 0.00 -0.57 0.00 0.00 31.44 26.17 2k78 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k78 n GLY 85 N -0.06 0.57 3.13 0.62 0.00 -1.26 -5.05 105.19 103.14 2k78 n GLY 85 Ca -0.14 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 2k78 n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k78 s HIS 86 N -2.00 0.73 0.98 1.61 -3.43 0.25 -5.15 115.29 108.27 2k78 s HIS 86 Ca 0.00 -0.97 -0.12 0.00 -0.80 0.00 0.00 55.06 53.17 2k78 s HIS 86 Cb 0.00 -0.46 0.18 0.00 -1.43 0.00 0.00 32.58 30.87 2k78 s HIS 86 CO 0.00 -0.24 1.11 0.21 -2.00 0.00 0.00 174.74 173.82 2k78 s LYS 87 N -3.80 0.61 0.59 -0.38 2.20 -1.26 -0.26 119.74 117.45 2k78 s LYS 87 Ca 0.09 0.41 -0.03 0.00 -0.36 0.00 0.00 55.97 56.08 2k78 s LYS 87 Cb 0.06 -1.77 0.03 0.00 -1.51 0.00 0.00 37.83 34.64 2k78 s LYS 87 CO -0.07 -2.58 0.86 -1.83 -0.36 0.00 0.00 175.35 171.37 2k78 s GLU 88 N -5.08 2.58 -0.17 4.03 -1.05 -1.24 -4.65 118.70 113.13 2k78 s GLU 88 Ca 0.65 -0.41 -0.03 0.00 -0.15 0.00 0.00 54.97 55.03 2k78 s GLU 88 Cb -0.17 -2.35 -0.02 0.00 -0.44 0.00 0.00 34.13 31.15 2k78 s GLU 88 CO 0.56 -0.82 -0.07 -0.80 0.95 0.00 0.00 175.26 175.08 2k78 s ASN 89 N -4.40 4.40 -0.48 0.83 0.02 -1.23 -4.97 114.94 109.11 2k78 s ASN 89 Ca 0.56 -0.27 -0.27 0.00 -1.02 0.00 0.00 52.86 51.86 2k78 s ASN 89 Cb -0.10 -1.71 -0.02 0.00 0.02 0.00 0.00 41.25 39.43 2k78 s ASN 89 CO 0.42 0.12 1.89 0.27 0.02 0.00 0.00 177.10 179.82 2k78 s ILE 90 N 0.67 3.37 -0.13 0.60 -5.25 -1.26 -3.00 121.20 116.19 2k78 s ILE 90 Ca -0.04 0.30 0.16 0.00 -0.99 0.00 0.00 60.65 60.08 2k78 s ILE 90 Cb -0.15 -3.71 -0.24 0.00 2.95 0.00 0.00 42.46 41.31 2k78 s ILE 90 CO 0.02 -0.60 0.32 0.00 -1.79 0.00 0.00 174.94 172.89 2k78 n ILE 91 N 7.38 1.48 -3.15 8.37 3.06 -0.96 -4.91 119.36 130.63 2k78 n ILE 91 Ca 0.23 -0.83 0.05 0.00 -2.50 0.00 0.00 62.75 59.70 2k78 n ILE 91 Cb 0.50 -0.71 -0.00 0.00 0.54 0.00 0.00 39.64 39.97 2k78 n ILE 91 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 2k78 s SER 92 N -5.75 -1.05 0.06 9.51 1.04 -1.24 -4.99 113.70 111.28 2k78 s SER 92 Ca -0.08 0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.50 2k78 s SER 92 Cb 0.07 1.70 -0.05 0.00 0.10 0.00 0.00 66.02 67.84 2k78 s SER 92 CO 0.83 -0.19 0.31 -0.75 0.98 0.00 0.00 173.24 174.42 2k78 s LYS 93 N 2.89 3.60 -0.19 4.02 2.20 -1.26 -2.58 119.74 128.43 2k78 s LYS 93 Ca 0.17 -0.08 -0.04 0.00 -0.36 0.00 0.00 55.97 55.65 2k78 s LYS 93 Cb -0.07 -3.00 0.08 0.00 -1.51 0.00 0.00 37.83 33.33 2k78 s LYS 93 CO -0.23 0.58 0.15 1.21 -0.36 0.00 0.00 175.35 176.70 2k78 s ASN 94 N -2.00 1.85 0.00 1.43 3.04 -0.93 -4.99 114.94 113.35 2k78 s ASN 94 Ca 0.33 -0.41 -0.15 0.00 0.04 0.00 0.00 52.86 52.66 2k78 s ASN 94 Cb -0.13 0.07 -0.34 0.00 -1.54 0.00 0.00 41.25 39.31 2k78 s ASN 94 CO 0.20 -0.34 0.90 0.74 -3.04 0.00 0.00 177.10 175.56 2k78 h THR 95 N 6.37 1.21 -0.29 -5.21 2.02 -1.96 -1.00 112.91 114.04 2k78 h THR 95 Ca -0.16 -2.63 -0.03 0.00 0.77 0.00 0.00 66.41 64.36 2k78 h THR 95 Cb 1.15 2.98 -0.02 0.00 -1.74 0.00 0.00 68.15 70.53 2k78 h THR 95 CO 0.28 0.81 0.04 0.00 0.37 0.00 0.00 175.52 177.02 2k78 h ALA 96 N 0.13 1.54 0.00 6.16 0.00 -1.97 -2.36 119.26 122.75 2k78 h ALA 96 Ca -0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2k78 h ALA 96 Cb 2.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2k78 h ALA 96 CO 0.24 0.34 -0.86 1.63 0.00 0.00 0.00 179.25 180.60 2k78 n LYS 97 N -4.35 0.04 -3.18 0.00 5.02 -1.25 -4.99 118.16 109.46 2k78 n LYS 97 Ca 0.01 -0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 2k78 n LYS 97 Cb 0.19 -1.51 0.07 0.00 -0.02 0.00 0.00 35.03 33.76 2k78 n LYS 97 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k78 n ASP 98 N -1.56 -3.67 -3.17 4.39 -0.08 -0.48 -4.90 116.55 107.07 2k78 n ASP 98 Ca 0.04 -0.58 -0.16 0.00 -1.51 0.00 0.00 54.79 52.58 2k78 n ASP 98 Cb 0.35 -4.63 -0.04 0.00 2.34 0.00 0.00 41.12 39.14 2k78 n ASP 98 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2k78 s GLU 99 N -4.81 1.94 -0.12 -0.67 2.02 -0.61 -2.21 118.70 114.23 2k78 s GLU 99 Ca 0.16 -1.83 -0.33 0.00 0.02 0.00 0.00 54.97 52.99 2k78 s GLU 99 Cb -0.02 0.43 0.12 0.00 0.10 0.00 0.00 34.13 34.77 2k78 s GLU 99 CO 0.65 -0.80 1.08 0.50 0.02 0.00 0.00 175.26 176.71 2k78 s ARG 100 N -3.00 0.51 0.03 1.61 3.52 -1.05 -2.19 118.95 118.38 2k78 s ARG 100 Ca 0.32 -0.18 -0.02 0.00 -0.13 0.00 0.00 55.73 55.71 2k78 s ARG 100 Cb -0.00 0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.60 2k78 s ARG 100 CO 0.22 -0.22 0.02 0.99 -0.81 0.00 0.00 175.30 175.50 2k78 s THR 101 N -2.68 0.14 -0.06 4.11 2.01 -1.06 -0.01 115.64 118.08 2k78 s THR 101 Ca 0.08 -1.12 -0.06 0.00 0.31 0.00 0.00 61.69 60.90 2k78 s THR 101 Cb -0.01 -0.70 0.02 0.00 0.01 0.00 0.00 72.50 71.82 2k78 s THR 101 CO -0.06 -0.61 0.18 -0.94 -0.69 0.00 0.00 174.62 172.49 2k78 s SER 102 N -1.92 -0.18 0.15 3.53 1.04 -0.98 -2.26 113.70 113.07 2k78 s SER 102 Ca -0.08 0.33 -0.08 0.00 0.48 0.00 0.00 55.95 56.60 2k78 s SER 102 Cb -0.04 0.36 -0.06 0.00 0.10 0.00 0.00 66.02 66.38 2k78 s SER 102 CO -0.03 -0.08 0.44 -0.70 0.98 0.00 0.00 173.24 173.85 2k78 s GLU 103 N 0.01 3.74 0.09 4.02 2.12 -1.16 -1.11 118.70 126.40 2k78 s GLU 103 Ca -0.01 0.14 0.06 0.00 0.36 0.00 0.00 54.97 55.52 2k78 s GLU 103 Cb -0.02 -2.84 -0.03 0.00 0.26 0.00 0.00 34.13 31.50 2k78 s GLU 103 CO 0.00 0.45 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.95 2k78 s PHE 104 N -1.61 1.41 -0.19 5.30 0.08 0.02 -3.55 117.98 119.44 2k78 s PHE 104 Ca 0.40 -0.45 -0.04 0.00 0.12 0.00 0.00 56.93 56.96 2k78 s PHE 104 Cb -0.13 -0.78 -0.02 0.00 -0.57 0.00 0.00 43.02 41.53 2k78 s PHE 104 CO 0.21 0.11 -0.04 -2.00 -0.10 0.00 0.00 175.22 173.40 2k78 s GLU 105 N -1.87 3.48 0.18 0.44 2.56 -1.26 -2.37 118.70 119.85 2k78 s GLU 105 Ca 0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 54.97 54.28 2k78 s GLU 105 Cb -0.10 -2.96 -0.00 0.00 2.00 0.00 0.00 34.13 33.07 2k78 s GLU 105 CO 0.03 -0.03 0.34 0.54 -0.56 0.00 0.00 175.26 175.58 2k78 s VAL 106 N 1.05 0.05 0.25 3.70 0.11 -1.25 -4.84 120.40 119.47 2k78 s VAL 106 Ca 0.01 -1.28 -0.04 0.00 -2.93 0.00 0.00 61.98 57.74 2k78 s VAL 106 Cb -0.15 -1.82 0.23 0.00 -1.53 0.00 0.00 36.38 33.11 2k78 s VAL 106 CO 0.00 -0.24 1.85 -1.28 -3.33 0.00 0.00 175.10 172.11 2k78 h SER 107 N 2.46 0.87 0.00 3.54 0.87 -1.99 -3.43 113.55 115.88 2k78 h SER 107 Ca -0.31 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2k78 h SER 107 Cb 1.24 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2k78 h SER 107 CO 0.45 0.54 0.00 1.17 -0.53 0.00 0.00 176.83 178.47 2k78 n LYS 108 N -4.61 0.00 -2.83 2.24 3.00 -1.26 -4.81 118.16 109.89 2k78 n LYS 108 Ca 0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.34 2k78 n LYS 108 Cb 0.20 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.29 2k78 n LYS 108 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2k78 n LEU 109 N 0.00 -0.86 -3.39 3.14 -0.00 -1.26 -5.00 117.00 109.62 2k78 n LEU 109 Ca 0.00 -3.99 -0.19 0.00 -0.00 0.00 0.00 56.01 51.83 2k78 n LEU 109 Cb 0.00 0.61 -0.09 0.00 -0.00 0.00 0.00 43.42 43.94 2k78 n LEU 109 CO 0.00 2.02 -0.19 0.21 -0.00 0.00 0.00 177.39 179.43 2k78 s ASN 110 N -1.83 1.61 0.00 1.45 3.84 -1.26 -1.49 114.94 117.26 2k78 s ASN 110 Ca 0.27 -1.38 0.00 0.00 0.21 0.00 0.00 52.86 51.97 2k78 s ASN 110 Cb 0.35 0.41 0.00 0.00 -0.55 0.00 0.00 41.25 41.46 2k78 s ASN 110 CO -0.05 -0.31 0.00 0.61 -2.79 0.00 0.00 177.10 174.55 2k78 n GLY 111 N 4.60 0.15 3.18 1.21 0.00 0.41 -4.89 105.19 109.84 2k78 n GLY 111 Ca 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 2k78 n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k78 s LYS 112 N 0.00 0.48 -0.11 1.61 2.36 -1.26 -2.00 119.74 120.83 2k78 s LYS 112 Ca 0.00 0.95 -0.05 0.00 -2.55 0.00 0.00 55.97 54.32 2k78 s LYS 112 Cb 0.00 0.30 -0.04 0.00 -1.05 0.00 0.00 37.83 37.04 2k78 s LYS 112 CO 0.00 -0.52 0.09 0.42 1.55 0.00 0.00 175.35 176.89 2k78 s ILE 113 N 2.75 5.04 -0.11 5.43 -1.09 0.12 -4.88 121.20 128.46 2k78 s ILE 113 Ca 0.12 0.03 -0.30 0.00 -2.23 0.00 0.00 60.65 58.27 2k78 s ILE 113 Cb -0.14 -3.17 -0.02 0.00 -1.58 0.00 0.00 42.46 37.55 2k78 s ILE 113 CO -0.18 0.61 1.19 -1.81 -1.23 0.00 0.00 174.94 173.52 2k78 s ASP 114 N -0.96 7.04 0.41 3.58 1.11 -1.26 -1.38 116.67 125.21 2k78 s ASP 114 Ca 0.14 1.72 0.05 0.00 0.18 0.00 0.00 52.55 54.64 2k78 s ASP 114 Cb -0.12 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.30 2k78 s ASP 114 CO 0.03 -0.63 0.18 -0.83 1.18 0.00 0.00 175.17 175.11 2k78 s GLY 115 N 1.56 2.65 0.16 0.21 0.00 -1.17 -3.01 107.32 107.73 2k78 s GLY 115 Ca 0.54 -1.34 -0.05 0.00 0.00 0.00 0.00 44.72 43.86 2k78 s GLY 115 CO 0.18 -1.75 0.20 0.54 0.00 0.00 0.00 173.10 172.27 2k78 s LYS 116 N -3.59 1.11 -0.17 2.90 1.02 0.94 -3.04 119.74 118.91 2k78 s LYS 116 Ca 0.26 -1.33 -0.26 0.00 0.02 0.00 0.00 55.97 54.66 2k78 s LYS 116 Cb 0.01 0.32 0.07 0.00 -0.52 0.00 0.00 37.83 37.71 2k78 s LYS 116 CO 0.18 -0.38 0.66 -1.50 -0.92 0.00 0.00 175.35 173.39 2k78 s ILE 117 N -4.03 0.00 0.25 2.17 -1.16 0.15 0.18 121.20 118.77 2k78 s ILE 117 Ca 0.23 -0.02 0.07 0.00 -0.51 0.00 0.00 60.65 60.42 2k78 s ILE 117 Cb 0.05 -0.94 -0.04 0.00 0.61 0.00 0.00 42.46 42.14 2k78 s ILE 117 CO 0.03 -0.01 0.15 -1.81 -2.81 0.00 0.00 174.94 170.49 2k78 s ASP 118 N -0.28 5.33 0.01 4.50 1.01 -0.90 -1.42 116.67 124.92 2k78 s ASP 118 Ca -0.05 -0.32 -0.02 0.00 0.71 0.00 0.00 52.55 52.87 2k78 s ASP 118 Cb -0.03 -1.30 -0.01 0.00 1.01 0.00 0.00 42.92 42.59 2k78 s ASP 118 CO 0.04 -0.02 0.03 0.68 0.21 0.00 0.00 175.17 176.11 2k78 s VAL 119 N -2.13 0.09 -0.27 -1.27 -7.23 -1.12 -1.24 120.40 107.22 2k78 s VAL 119 Ca 0.32 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 2k78 s VAL 119 Cb -0.08 -0.28 0.15 0.00 0.56 0.00 0.00 36.38 36.73 2k78 s VAL 119 CO 0.24 -0.39 0.40 -0.47 -0.31 0.00 0.00 175.10 174.57 2k78 s TYR 120 N -1.22 -0.96 0.11 2.82 5.04 -1.17 -2.56 117.35 119.40 2k78 s TYR 120 Ca -0.13 0.55 0.06 0.00 -2.44 0.00 0.00 57.07 55.11 2k78 s TYR 120 Cb -0.08 -0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.13 2k78 s TYR 120 CO -0.00 -0.89 -0.15 0.42 -1.34 0.00 0.00 175.55 173.59 2k78 s ILE 121 N 2.55 1.34 -0.32 3.14 1.01 0.36 -4.47 121.20 124.81 2k78 s ILE 121 Ca 0.11 -1.57 0.07 0.00 0.00 0.00 0.00 60.65 59.25 2k78 s ILE 121 Cb -0.14 -1.41 0.19 0.00 0.01 0.00 0.00 42.46 41.12 2k78 s ILE 121 CO -0.25 -0.30 0.60 1.51 0.00 0.00 0.00 174.94 176.50 2k78 s ASP 122 N -2.16 -1.60 0.00 3.58 -4.77 -1.26 -0.76 116.67 109.70 2k78 s ASP 122 Ca 0.05 -0.07 0.00 0.00 -3.30 0.00 0.00 52.55 49.23 2k78 s ASP 122 Cb -0.07 2.01 0.00 0.00 -1.09 0.00 0.00 42.92 43.77 2k78 s ASP 122 CO 0.03 -0.27 0.00 -1.84 0.70 0.00 0.00 175.17 173.80 2k78 n GLU 123 N 5.15 0.00 -3.76 2.11 0.28 -1.11 -5.00 120.64 118.32 2k78 n GLU 123 Ca 0.07 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.70 2k78 n GLU 123 Cb 0.55 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.30 2k78 n GLU 123 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2k78 s LYS 124 N -1.73 2.20 -0.23 3.44 -0.14 -1.26 0.12 119.74 122.14 2k78 s LYS 124 Ca 0.00 -1.66 -0.29 0.00 -1.36 0.00 0.00 55.97 52.66 2k78 s LYS 124 Cb 0.00 -3.56 -0.00 0.00 -1.68 0.00 0.00 37.83 32.59 2k78 s LYS 124 CO 0.00 -0.98 1.22 0.08 -0.76 0.00 0.00 175.35 174.91 2k78 s VAL 125 N 1.22 4.33 -1.35 3.17 1.01 -0.40 -3.36 120.40 125.01 2k78 s VAL 125 Ca 0.05 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.60 2k78 s VAL 125 Cb -0.22 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2k78 s VAL 125 CO -0.02 -0.28 0.00 0.59 0.00 0.00 0.00 175.10 175.39 2k78 n ASN 126 N 6.88 -4.26 -0.34 3.32 5.03 -1.26 -1.68 115.26 122.95 2k78 n ASN 126 Ca 0.14 0.21 0.00 0.00 0.87 0.00 0.00 54.58 55.80 2k78 n ASN 126 Cb 0.46 -3.69 0.00 0.00 -1.02 0.00 0.00 39.78 35.52 2k78 n ASN 126 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k78 n GLY 127 N -0.67 0.84 2.74 7.41 0.00 -1.22 -5.08 105.19 109.22 2k78 n GLY 127 Ca -0.17 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 2k78 n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k78 s LYS 128 N -2.44 0.22 -0.35 1.61 1.02 -0.68 -5.07 119.74 114.05 2k78 s LYS 128 Ca 0.00 0.09 -0.35 0.00 0.02 0.00 0.00 55.97 55.73 2k78 s LYS 128 Cb 0.00 -1.08 -0.11 0.00 -0.52 0.00 0.00 37.83 36.12 2k78 s LYS 128 CO 0.00 -0.75 2.20 -2.30 -0.92 0.00 0.00 175.35 173.57 2k78 n PRO 129 N 5.31 1.08 -4.32 -1.68 -0.02 -1.26 -1.27 135.00 132.84 2k78 n PRO 129 Ca -0.05 0.29 -0.31 0.00 -2.02 0.00 0.00 63.50 61.41 2k78 n PRO 129 Cb 0.48 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.39 2k78 n PRO 129 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2k78 s PHE 130 N 7.40 2.93 -0.31 6.00 5.36 0.32 -4.94 117.98 134.74 2k78 s PHE 130 Ca 1.10 -0.02 -0.01 0.00 -0.96 0.00 0.00 56.93 57.03 2k78 s PHE 130 Cb -0.84 -1.59 0.10 0.00 -0.34 0.00 0.00 43.02 40.35 2k78 s PHE 130 CO 0.48 0.42 0.11 0.21 -1.46 0.00 0.00 175.22 174.99 2k78 s LYS 131 N -1.73 0.63 -0.13 10.12 2.20 -1.26 -2.73 119.74 126.83 2k78 s LYS 131 Ca 0.20 -1.02 0.00 0.00 -0.36 0.00 0.00 55.97 54.79 2k78 s LYS 131 Cb -0.11 -1.82 -0.01 0.00 -1.51 0.00 0.00 37.83 34.37 2k78 s LYS 131 CO 0.11 -1.01 -0.15 -0.47 -0.36 0.00 0.00 175.35 173.48 2k78 s TYR 132 N 1.63 2.78 -0.36 4.03 5.04 0.06 -4.96 117.35 125.57 2k78 s TYR 132 Ca 0.10 -0.76 -0.06 0.00 -2.44 0.00 0.00 57.07 53.92 2k78 s TYR 132 Cb -0.18 -1.84 0.21 0.00 0.35 0.00 0.00 41.96 40.51 2k78 s TYR 132 CO -0.25 -0.28 1.06 0.16 -1.34 0.00 0.00 175.55 174.89 2k78 s ASP 133 N 0.44 -0.39 0.00 4.32 1.47 -1.25 0.13 116.67 121.39 2k78 s ASP 133 Ca -0.11 -0.44 0.00 0.00 1.18 0.00 0.00 52.55 53.18 2k78 s ASP 133 Cb -0.16 0.51 0.00 0.00 -0.34 0.00 0.00 42.92 42.93 2k78 s ASP 133 CO 0.05 -0.02 0.00 1.41 0.68 0.00 0.00 175.17 177.29 2k78 n HIS 134 N 2.74 -0.35 -4.90 2.11 8.25 -1.06 -5.00 115.22 117.01 2k78 n HIS 134 Ca 0.11 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.27 2k78 n HIS 134 Cb 0.64 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.61 2k78 n HIS 134 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k78 s HIS 135 N -4.57 2.43 0.37 4.41 5.65 -1.26 -2.80 115.29 119.51 2k78 s HIS 135 Ca 0.00 -0.35 -0.09 0.00 0.25 0.00 0.00 55.06 54.87 2k78 s HIS 135 Cb 0.00 -1.45 0.04 0.00 -1.18 0.00 0.00 32.58 29.98 2k78 s HIS 135 CO 0.00 0.14 0.64 0.66 -0.65 0.00 0.00 174.74 175.53 2k78 n TYR 136 N 1.87 -1.95 -4.01 3.88 4.01 -0.51 -5.00 117.16 115.44 2k78 n TYR 136 Ca -0.17 -2.00 -0.13 0.00 -0.16 0.00 0.00 57.90 55.44 2k78 n TYR 136 Cb 0.52 0.75 -0.02 0.00 -0.31 0.00 0.00 39.34 40.27 2k78 n TYR 136 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2k78 s ASN 137 N -3.05 0.69 0.24 7.72 2.20 -1.26 0.33 114.94 121.81 2k78 s ASN 137 Ca 0.21 -1.40 -0.18 0.00 -0.94 0.00 0.00 52.86 50.55 2k78 s ASN 137 Cb -0.03 0.72 0.02 0.00 -2.00 0.00 0.00 41.25 39.96 2k78 s ASN 137 CO 0.15 -1.41 0.60 0.27 -2.94 0.00 0.00 177.10 173.78 2k78 s ILE 138 N -2.84 0.01 -0.24 0.54 -4.36 -1.17 -4.55 121.20 108.58 2k78 s ILE 138 Ca 0.26 -0.97 -0.18 0.00 -0.26 0.00 0.00 60.65 59.50 2k78 s ILE 138 Cb -0.02 -1.87 -0.03 0.00 1.25 0.00 0.00 42.46 41.80 2k78 s ILE 138 CO 0.18 -0.03 0.53 -0.89 0.24 0.00 0.00 174.94 174.97 2k78 s THR 139 N -3.92 5.07 -0.76 8.37 2.01 -1.01 -3.02 115.64 122.39 2k78 s THR 139 Ca 0.12 0.94 -0.20 0.00 0.31 0.00 0.00 61.69 62.87 2k78 s THR 139 Cb -0.03 -3.85 0.11 0.00 0.01 0.00 0.00 72.50 68.74 2k78 s THR 139 CO 0.04 0.10 0.96 -0.31 -0.69 0.00 0.00 174.62 174.72 2k78 s TYR 140 N 2.14 2.96 -0.54 4.92 2.02 -0.48 -2.17 117.35 126.20 2k78 s TYR 140 Ca 0.23 -1.03 -0.21 0.00 -0.37 0.00 0.00 57.07 55.70 2k78 s TYR 140 Cb -0.16 -4.21 0.06 0.00 -0.40 0.00 0.00 41.96 37.26 2k78 s TYR 140 CO 0.09 -1.48 0.74 0.21 -1.57 0.00 0.00 175.55 173.54 2k78 s LYS 141 N 3.07 3.16 0.35 -0.62 2.36 0.46 0.14 119.74 128.66 2k78 s LYS 141 Ca 0.24 -0.80 -0.02 0.00 -2.55 0.00 0.00 55.97 52.84 2k78 s LYS 141 Cb -0.14 -4.12 -0.04 0.00 -1.05 0.00 0.00 37.83 32.48 2k78 s LYS 141 CO 0.01 -1.38 0.58 -0.06 1.55 0.00 0.00 175.35 176.05 2k78 s PHE 142 N 3.07 3.51 -0.31 4.03 0.08 -0.85 0.60 117.98 128.12 2k78 s PHE 142 Ca 0.19 0.48 -0.03 0.00 0.12 0.00 0.00 56.93 57.69 2k78 s PHE 142 Cb -0.18 -2.00 0.11 0.00 -0.57 0.00 0.00 43.02 40.38 2k78 s PHE 142 CO 0.13 0.08 0.15 -0.80 -0.10 0.00 0.00 175.22 174.67 2k78 s ASN 143 N -3.84 3.40 0.00 1.36 0.01 0.44 -0.45 114.94 115.87 2k78 s ASN 143 Ca 0.42 -1.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.03 2k78 s ASN 143 Cb -0.10 -0.38 0.00 0.00 0.41 0.00 0.00 41.25 41.18 2k78 s ASN 143 CO 0.36 -0.40 0.00 0.61 -1.51 0.00 0.00 177.10 176.15 2k78 n GLY 144 N 4.92 3.06 0.00 0.66 0.00 -0.55 -2.68 105.19 110.59 2k78 n GLY 144 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2k78 n GLY 144 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k78 n PRO 145 N 0.00 0.65 0.00 1.61 -0.04 -1.26 -4.64 135.00 131.32 2k78 n PRO 145 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2k78 n PRO 145 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2k78 n PRO 145 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k78 n THR 146 N -1.03 0.00 0.00 0.52 -2.24 -1.26 -4.11 114.28 106.15 2k78 n THR 146 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k78 n THR 146 Cb 0.00 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 2k78 n THR 146 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k78 n ASP 147 N -2.29 0.00 -3.61 3.42 9.92 -1.26 -4.81 116.55 117.92 2k78 n ASP 147 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.00 2k78 n ASP 147 Cb 0.00 0.18 0.04 0.00 -0.64 0.00 0.00 41.12 40.70 2k78 n ASP 147 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2k78 n VAL 148 N -2.46 -2.23 -2.69 2.53 0.31 -1.26 -4.86 118.33 107.68 2k78 n VAL 148 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2k78 n VAL 148 Cb 0.00 -3.22 0.12 0.00 -0.91 0.00 0.00 33.84 29.83 2k78 n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k78 n ALA 149 N -4.49 2.18 0.94 3.52 0.00 -1.26 -5.17 120.51 116.23 2k78 n ALA 149 Ca 0.00 -1.29 0.11 0.00 0.00 0.00 0.00 53.44 52.27 2k78 n ALA 149 Cb 0.55 -0.91 0.09 0.00 0.00 0.00 0.00 19.45 19.19 2k78 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91